SCHEMBL856395

SCHEMBL856395

OB(O)c1ccc2c(c1)CN(c1ncncc1Cc1ccc(F)cc1)CCO2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 2/20 0.34
RIPK1 Q13546 1/20 0.33
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
RPS6KB1 P23443 2/20 0.31
NTRK1 P04629 1/20 0.31
ELOVL1 Q9BW60 1/20 0.31
KIT P10721 1/20 0.30
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
KDM4E B2RXH2 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL855845 0.84 RIPK1 (0.34) GPR142RIPK1DRD2DRD4DRD3
SCHEMBL858099 0.80 RPS6KB1 (0.36) GPR142DRD2DRD4DRD3RPS6KB1
SCHEMBL862212 0.75 RPS6KB1 (0.35) GPR142RPS6KB1NTRK1
SCHEMBL3717313 0.74 GPR142 (0.37) GPR142
SCHEMBL859650 0.73 GPR142 (0.34) GPR142
SCHEMBL856374 0.69 LMNA (0.39) RIPK1DRD2DRD4DRD3RPS6KB1
SCHEMBL7806917 0.69 PIK3CA (0.46) GPR142RPS6KB1KDM4E
SCHEMBL861453 0.68 GPR142 (0.34) GPR142RIPK1DRD2DRD4DRD3
SCHEMBL856184 0.67 PIK3CA (0.38) GPR142RIPK1RPS6KB1KIT
SCHEMBL856625 0.67 KIT (0.42) KITKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA GPR142 1660/4885RIPK1 1300/4885DRD2 2580/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA GPR142 2004/4885RIPK1 1332/4885DRD2 3168/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.